Geometry & MOs

Info

ID:	188569
PubChem CID:	77736204
Reduced:	O4H24C25 (1)
Stoich.:	A4B24C25 (1)
Weight, g/mol:	481.201299
ΔH_f, kcal/mol:	-80.19
Dipole, Da:	4.32
IP(EA), eV:	-8.82(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[6-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=C(C3C4CCC(C3C2=O)O4)OC(=O)C)C)C5=CC=CC=C5

DOS

IR

Vibrations